CAS: 1312716-25-8; (3R,4Ar,5S,6R,6Ar,10R,10As,10Br)-10-(Benzoyloxy)-5-Hydroxy-4A,6A,7,10B-Tetramethyl-5'-Oxo-1,2,4A,4',5,5',6,6A,9,10,10A,10B-Dodecahydro-2'H-Spiro[benzo[f]Chromene-3,3'-Furan]-6-Yl Nicotinate

• 英文名称(3R,4Ar,5S,6R,6Ar,10R,10As,10Br)-10-(Benzoyloxy)-5-Hydroxy-4A,6A,7,10B-Tetramethyl-5'-Oxo-1,2,4A,4',5,5',6,6A,9,10,10A,10B-Dodecahydro-2'H-Spiro[benzo[f]Chromene-3,3'-Furan]-6-Yl Nicotinate
• 中文名称半枝莲碱 W
• IUPAC名称(3R,4aR,5S,6R,6aR,10R,10aS,10bR)-10-(benzoyloxy)-5-hydroxy-4a,6a,7,10b-tetramethyl-5'-oxo-1,2,4a,4',5,5',6,6a,9,10,10a,10b-dodecahydro-2'H-spiro[benzo[f]chromene-3,3'-furan]-6-yl nicotinate
• 其它别名Scutebarbatine W; Scutehenanine B; 3-Pyridinecarboxylic Acid, (3R,4'Ar,5'S,6'R,6'Ar,10'R,10'As,10'Br)-10'-(Benzoyloxy)-1',2',4'A,5',6',6'A,9',10',10'A,10'B-Decahydro-5'-Hydroxy-4'A,6'A,7',10'B-Tetramethyl-5-Oxospiro[furan-3(2H),3'-[3H]Naphtho[2,1-B]Pyran]-6'-Yl Ester
• CAS编号1312716-25-8
• MFCD编号:MFCD20274623
• 分子式:C33H37NO8分子量:575.66
• 产品CID: 475376

• 相似结构搜索
• InChIKey: LHDUPMAARYESGH-JIYIMHFPSA-N
• InChI=1S/C33H37NO8/c1-20-12-13-23(40-28(37)21-9-6-5-7-10-21)25-30(2)14-15-33(17-24(35)39-19-33)42-32(30,4)26(36)27(31(20,25)3)41-29(38)22-11-8-16-34-18-22/h5-12,16,18,23,
• 计算化学: 氢键受体数9.0氢键供体数1.0可旋转键数6.0

物理性质

• 沸点716.0±60.0 °C(预测)
• 闪点386.8±32.9 °C
• 密度1.32±0.1 g/cm3(预测)
• pKa:12.90±0.70(预测)
• PSA:121.25
• LogP:4.4407

MSDS等安全信息

• 危险描述H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
• 防范说明P264+P280+P305+P351+P338+P337+P313
• 安全声明H303+H313+H333

合成工艺路线路线简述

海关参考信息

• 2901210000-乙烯
  2901220000-丙烯
  2905122000-异丙醇
  2905143000-叔丁醇
• 💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
• 详情请参考：📖 海关编码查询和海关进出口税则

其他信息查阅

• ➥ 象形图和危险代码
• ➥ 防范代码详解
• ➥ 危险代码说明
• ➥ Globally Harmonized System
• ➥ REACH监管